CID 119093120

855221-82-8

Structural Information

Molecular Formula
C9H6O4
SMILES
C1C2=C(C=C(C=C2)C(=O)O)OC1=O
InChI
InChI=1S/C9H6O4/c10-8-4-5-1-2-6(9(11)12)3-7(5)13-8/h1-3H,4H2,(H,11,12)
InChIKey
JJANTHMVMSKFML-UHFFFAOYSA-N
Compound name
2-oxo-3H-1-benzofuran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.02661 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.033886 131.4
[M+Na]+ 201.015828 140.7
[M-H]- 177.019334 135.9
[M+NH4]+ 196.060433 152.4
[M+K]+ 216.989768 139.8
[M+H-H2O]+ 161.023870 126.9
[M+HCOO]- 223.024811 153.0
[M+CH3COO]- 237.040461 176.2
[M+Na-2H]- 199.001276 137.5
[M]+ 178.02606142 132.7
[M]- 178.02715858 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe